1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine

C15H24ClN3 — CID 63171749

IUPAC1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2cc(N)ccc2Cl)C1
InChIInChI=1S/C15H24ClN3/c1-3-19(4-2)14-7-8-18(11-14)10-12-9-13(17)5-6-15(12)16/h5-6,9,14H,3-4,7-8,10-11,17H2,1-2H3
InChIKeyVRIYIMDWRFZAAZ-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.84
Rot. Bonds5

About 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine

1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63171749) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63171749
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2cc(N)ccc2Cl)C1
InChIInChI=1S/C15H24ClN3/c1-3-19(4-2)14-7-8-18(11-14)10-12-9-13(17)5-6-15(12)16/h5-6,9,14H,3-4,7-8,10-11,17H2,1-2H3
InChIKeyVRIYIMDWRFZAAZ-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol
CID 68627657
4-chloro-3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 43169075
1-[(3-amino-4-methylphenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55224176
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
1-[(3-amino-4-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 115557189
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
3-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-chloroaniline
CID 62774579
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 63164030

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine (CID 63171749) is 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(Cc2cc(N)ccc2Cl)C1.
What is the InChIKey of 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is VRIYIMDWRFZAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-19(4-2)14-7-8-18(11-14)10-12-9-13(17)5-6-15(12)16/h5-6,9,14H,3-4,7-8,10-11,17H2,1-2H3.
What are the key properties of 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine?
1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 281.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63171749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).